SCHEMBL24539477

SCHEMBL24539477

C[C@@H](CO)c1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.46
JAK1 P23458 9/20 0.46
TYK2 P29597 9/20 0.46
JAK3 P52333 9/20 0.46
AHR P35869 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RET P07949 4/20 0.37
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EP300 Q09472 2/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24539406 0.84 JAK2 (0.45) JAK2JAK1TYK2JAK3AHR
SCHEMBL24539407 0.84 JAK2 (0.45) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327333 0.83 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL29601453 0.83 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327328 0.83 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24539588 0.83 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327326 0.82 JAK2 (0.43) JAK2JAK1TYK2JAK3AHR
SCHEMBL29732784 0.81 FGFR3 (0.44) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24539484 0.81 JAK2 (0.41) JAK2JAK1TYK2JAK3CNR1
SCHEMBL29601470 0.80 JAK2 (0.40) JAK2JAK1TYK2JAK3AHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022127753-A1 FUSED RING AHR INHIBITOR 山东轩竹医药科技有限公司 2022-06-23 WO disclosed